Shorl
Grice J D, Ercit T S
Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
Sample: Shorl 49356
Locality: York River, Hastings Co., Ontario, Canada
_database_code_amcsd 0018785
CELL PARAMETERS: 15.9900 15.9900 7.1950 90.000 90.000 120.000
SPACE GROUP: R3m
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1593.156
Density (g/cm3): 3.175
MAX. ABS. INTENSITY / VOLUME**2: 9.379202268
RIR: 0.962
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.87 48.35 6.3846 1 0 1 3
17.78 14.18 4.9890 0 2 1 3
19.23 13.38 4.6159 3 0 0 3
20.99 56.39 4.2325 2 1 1 6
22.24 65.79 3.9975 2 2 0 6
25.58 54.44 3.4819 0 1 2 3
26.30 5.03 3.3882 1 3 1 6
27.95 1.98 3.1923 2 0 2 3
29.56 7.71 3.0218 4 1 0 6
30.14 55.77 2.9647 1 2 2 6
30.77 10.26 2.9062 3 2 1 6
34.15 4.15 2.6256 3 1 2 6
34.71 100.00 2.5847 0 5 1 3
36.00 2.73 2.4945 0 4 2 3
36.54 4.25 2.4594 2 4 1 6
37.50 7.08 2.3983 0 0 3 1
37.78 14.29 2.3813 2 3 2 6
38.29 13.19 2.3506 5 1 1 6
39.03 2.94 2.3080 6 0 0 3
39.22 1.17 2.2972 1 1 3 6
40.69 2.53 2.2174 5 2 0 6
41.13 15.10 2.1946 5 0 2 3
41.61 11.41 2.1705 4 3 1 6
42.48 4.81 2.1282 0 3 3 3
42.48 6.25 2.1282 3 0 3 3
42.73 3.37 2.1163 4 2 2 6
44.03 10.82 2.0566 2 2 3 6
44.27 40.82 2.0458 1 5 2 6
44.72 8.87 2.0263 1 6 1 6
45.37 3.34 1.9987 4 4 0 6
47.25 23.73 1.9237 3 4 2 6
47.68 2.09 1.9075 3 5 1 6
48.46 7.72 1.8786 1 4 3 6
49.10 7.73 1.8554 6 2 1 6
49.71 1.53 1.8342 7 1 0 6
50.09 1.74 1.8212 6 1 2 6
51.24 3.69 1.7827 3 3 3 6
52.57 2.43 1.7410 0 2 4 3
52.81 1.37 1.7335 5 3 2 6
54.14 3.01 1.6941 2 6 2 6
55.24 15.21 1.6630 0 6 3 3
55.24 5.34 1.6630 6 0 3 3
55.82 12.19 1.6469 2 7 1 6
57.65 17.40 1.5990 5 5 0 6
57.76 4.02 1.5962 4 0 4 3
57.99 2.81 1.5904 4 5 2 6
58.36 1.61 1.5811 8 1 1 6
59.01 1.25 1.5653 3 2 4 6
59.61 3.63 1.5511 4 6 1 6
60.14 3.63 1.5386 9 0 0 3
60.47 4.15 1.5309 7 2 2 6
60.83 1.75 1.5227 7 3 1 6
61.36 3.59 1.5109 8 2 0 6
61.47 15.16 1.5085 0 5 4 3
62.67 3.37 1.4824 2 4 4 6
62.89 1.24 1.4777 1 8 2 6
63.87 15.09 1.4575 5 1 4 6
63.89 2.89 1.4569 1 7 3 6
63.89 1.06 1.4569 7 1 3 6
64.08 5.40 1.4531 6 4 2 6
64.94 4.65 1.4359 7 4 0 6
65.18 4.17 1.4313 0 1 5 3
65.61 7.20 1.4230 6 5 1 6
65.61 1.18 1.4230 1 9 1 6
66.22 9.80 1.4114 4 3 4 6
66.24 1.39 1.4108 3 6 3 6
66.24 3.10 1.4108 6 3 3 6
67.93 1.53 1.3799 3 8 1 6
69.07 10.21 1.3598 10 0 1 3
69.87 3.59 1.3462 5 6 2 6
70.70 3.67 1.3325 6 6 0 6
70.80 2.81 1.3309 3 5 4 6
70.82 5.24 1.3304 5 5 3 6
70.93 1.79 1.3288 0 4 5 3
71.82 8.60 1.3144 10 1 0 6
72.05 2.21 1.3108 2 3 5 6
72.13 2.25 1.3096 8 3 2 6
72.46 1.50 1.3044 5 7 1 6
73.24 1.89 1.2923 0 10 2 3
73.57 1.47 1.2874 8 4 1 6
74.05 3.50 1.2802 9 3 0 6
74.18 2.39 1.2784 2 8 3 6
74.28 10.39 1.2769 5 0 5 3
75.26 2.10 1.2627 5 4 4 6
76.88 3.63 1.2400 0 11 1 3
77.47 1.01 1.2320 4 7 3 6
77.47 1.31 1.2320 7 4 3 6
77.65 1.47 1.2297 4 8 2 6
77.97 1.41 1.2254 2 10 1 6
78.66 2.20 1.2164 3 4 5 6
80.01 1.80 1.1992 0 0 6 1
80.83 1.22 1.1892 6 1 5 6
81.22 3.39 1.1844 11 1 1 6
83.24 1.20 1.1606 3 0 6 3
83.95 5.75 1.1526 10 1 3 6
85.20 1.32 1.1390 1 11 2 6
86.07 1.06 1.1297 1 9 4 6
86.09 1.63 1.1294 9 3 3 6
87.52 1.10 1.1146 1 4 6 6
89.27 2.10 1.0973 10 0 4 3
89.65 1.18 1.0936 3 3 6 6
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.